1A0Q

29G11 COMPLEXED WITH PHENYL [1-(1-N-SUCCINYLAMINO)PENTYL] PHOSPHONATE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	1997-02
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	36.780, 82.610, 132.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.203
Rwork	0.203
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDP ENTRY 1EAP
RMSD bond length	0.009
RMSD bond angle	26.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.843)
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.280
Total number of observations	85418 *
Number of reflections	20072
<I/σ(I)>	8.7	3.2
Completeness [%]	94.9	90.2
Redundancy	4	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6		pH 6.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG8000	11 (%)
3	1	reservoir	zinc acetate	0.2 (M)
4	1	reservoir	cacodylate	0.1 (M)	pH6